2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one

C17H33N3O — CID 43747768

IUPAC2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(NC(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-13(2)17(21)20-11-7-16(8-12-20)18-14(3)15-5-9-19(4)10-6-15/h13-16,18H,5-12H2,1-4H3
InChIKeyJUYZEZVNKZMJNK-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.95
Rot. Bonds4

About 2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one (PubChem CID 43747768) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one
PubChem CID43747768
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(NC(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-13(2)17(21)20-11-7-16(8-12-20)18-14(3)15-5-9-19(4)10-6-15/h13-16,18H,5-12H2,1-4H3
InChIKeyJUYZEZVNKZMJNK-UHFFFAOYSA-N
XLogP1.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one (CID 43747768) is 2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(NC(C)C2CCN(C)CC2)CC1.
What is the InChIKey of 2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one?
The InChIKey is JUYZEZVNKZMJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-13(2)17(21)20-11-7-16(8-12-20)18-14(3)15-5-9-19(4)10-6-15/h13-16,18H,5-12H2,1-4H3.
What are the key properties of 2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one has a molecular weight of 295.47 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 43747768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).